SCHEMBL2803072

SCHEMBL2803072

COc1cc(C(=O)O)ccc1C#Cc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TPMT P51580 1/20 0.53
HTT P42858 2/20 0.50
TSHR P16473 2/20 0.47
CNR2 P34972 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SLC16A3 O15427 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTNNB1 P35222 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17672589 0.89 HTT (0.54) CA12CA1CA2CA4CA6
SCHEMBL2802065 0.87 TDP1 (0.51) CNR2GAALMNAMAPK1ALDH1A1
SCHEMBL5206647 0.84 HSD17B2 (0.57) CA12CA1CA2CA7CA9
SCHEMBL22824267 0.83 CA1 (0.51) CA12CA1CA2CA4CA6
SCHEMBL31442895 0.81 ACHE (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL28034740 0.78 AAK1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL6511422 0.78 FFAR1 (0.64) CA12CA1CA2CA4CA6
SCHEMBL20022591 0.78 ALDH1A1 (0.74) CA12CA1CA2CA9TSHR
SCHEMBL8889823 0.77 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL18031255 0.77 CA12 (0.56) CA12CA1CA2CA4CA6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132016-A1 BIS-(SULFONYLAMINO) DERIVATIVES FOR TREATMENT OF PAIN AND INFLAMMATION ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy ASTRAZENECA AB (SE) 2010-11-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100292279-A1 Bis-(Sulfonylamino) Derivatives in Therapy PTGER1, SULT2A1, SULT1E1 CA12 4708/4885CA1 3748/4885CA2 2726/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.